Property:Molfile

Purpose

Contains the Molfile V3000

Datatype

String

Usage226

Filter<p>The <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Property_page/Filter">search filter</a> allows the inclusion of <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Query_expressions">query expressions</a> such as <code>~</code> or <code>!</code>. The selected <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Query_engine">query engine</a> might also support case insensitive matching or other short expressions like:</p><ul><li><code>in:</code> result should include the term, e.g. '<code>in:Foo</code>'</li></ul><ul><li><code>not:</code> result should to not include the term, e.g. '<code>not:Bar</code>'</li></ul>

Showing 6 pages using this property.

1

101002 +

RDKit 2D 0 0 0 0 0 0 0 0 0 0999 V3000 M V30 BEGIN CTAB M V30 COUNTS 9 9 0 0 0 M V30 BEGIN ATOM M V30 1 C 5.03632 -3.5236 0 0 M V30 2 C 6.76662 -3.52312 0 0 M V30 3 C 5.90311 -3.0235 0 0 M V30 4 C 6.76662 -4.52406 0 0 M V30 5 C 5.03632 -4.52855 0 0 M V30 6 C 5.90529 -5.02356 0 0 M V30 7 C 5.90372 -2.0235 0 0 M V30 8 C 7.20322 -1.27429 0 0 M V30 9 Cl 7.63288 -3.02352 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 4 3 1 M V30 2 4 4 2 M V30 3 4 1 5 M V30 4 4 2 3 M V30 5 4 5 6 M V30 6 4 6 4 M V30 7 1 7 8 M V30 8 1 3 7 M V30 9 1 2 9 M V30 END BOND M V30 END CTAB M END +

101003 +

-INDIGO-12302410412D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 9 9 0 0 0 M V30 BEGIN ATOM M V30 1 N -2.0 0.0 0.0 0 M V30 2 C -1.5 0.866025 0.0 0 M V30 3 C -0.5 0.866025 0.0 0 M V30 4 C 0.0 0.0 0.0 0 M V30 5 N 1.0 0.0 0.0 0 M V30 6 C 1.5 -0.866026 0.0 0 M V30 7 C 1.5 0.866025 0.0 0 M V30 8 C -0.5 -0.866025 0.0 0 M V30 9 C -1.5 -0.866025 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 1 2 M V30 2 1 2 3 M V30 3 2 3 4 M V30 4 1 4 5 M V30 5 1 5 6 M V30 6 1 5 7 M V30 7 1 4 8 M V30 8 2 8 9 M V30 9 1 9 1 M V30 END BOND M V30 END CTAB M END +

101004 +

-INDIGO-12302410432D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 20 19 0 0 0 M V30 BEGIN ATOM M V30 1 O 0.0 -2 0.0 0 M V30 2 C 0.866025 -1.5 0.0 0 M V30 3 O 1.73205 -2.0 0.0 0 M V30 4 C 0.866025 -0.5 0.0 0 M V30 5 N 0.0 0.0 0.0 0 M V30 6 C -0.866025 -0.5 0.0 0 M V30 7 C -1.73205 0.0 0.0 0 M V30 8 N -2.59808 -0.5 0.0 0 M V30 9 C -2.59808 -1.5 0.0 0 M V30 10 C -3.4641 -2.0 0.0 0 M V30 11 O -4.33013 -1.5 0.0 0 M V30 12 O -3.4641 -3.0 0.0 0 M V30 13 C -3.4641 0.0 0.0 0 M V30 14 C -3.4641 1.0 0.0 0 M V30 15 O -2.59808 1.5 0.0 0 M V30 16 O -4.33013 1.5 0.0 0 M V30 17 C 0.0 1.0 0.0 0 M V30 18 C 0.866026 1.5 0.0 0 M V30 19 O 1.73205 1 0.0 0 M V30 20 O 0.866026 2.5 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 2 2 3 M V30 3 1 2 4 M V30 4 1 4 5 M V30 5 1 5 6 M V30 6 1 6 7 M V30 7 1 7 8 M V30 8 1 8 9 M V30 9 1 9 10 M V30 10 1 10 11 M V30 11 2 10 12 M V30 12 1 8 13 M V30 13 1 13 14 M V30 14 1 14 15 M V30 15 2 14 16 M V30 16 1 5 17 M V30 17 1 17 18 M V30 18 1 18 19 M V30 19 2 18 20 M V30 END BOND M V30 END CTAB M END +

101005 +

-INDIGO-12302416232D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 9 9 0 0 0 M V30 BEGIN ATOM M V30 1 C 5.78485 -5.35007 0.0 0 M V30 2 C 7.51515 -5.34959 0.0 0 M V30 3 C 6.65164 -4.84997 0.0 0 M V30 4 C 7.51515 -6.35053 0.0 0 M V30 5 C 5.78485 -6.35502 0.0 0 M V30 6 C 6.65382 -6.85003 0.0 0 M V30 7 N 6.65768 -7.85003 0.0 0 M V30 8 C 5.79359 -8.35336 0.0 0 M V30 9 C 7.52563 -8.34668 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 1 6 7 M V30 8 1 7 8 M V30 9 1 7 9 M V30 END BOND M V30 END CTAB M END +

101006 +

-INDIGO-12302416242D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 10 10 0 0 0 M V30 BEGIN ATOM M V30 1 C 5.78485 -5.35007 0.0 0 M V30 2 C 7.51515 -5.34959 0.0 0 M V30 3 C 6.65164 -4.84997 0.0 0 M V30 4 C 7.51515 -6.35053 0.0 0 M V30 5 C 5.78485 -6.35502 0.0 0 M V30 6 C 6.65382 -6.85003 0.0 0 M V30 7 N 6.65768 -7.85003 0.0 0 M V30 8 C 5.79359 -8.35336 0.0 0 M V30 9 C 7.52563 -8.34668 0.0 0 M V30 10 C 6.65225 -3.84997 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 1 M V30 2 2 4 2 M V30 3 1 1 5 M V30 4 1 2 3 M V30 5 2 5 6 M V30 6 1 6 4 M V30 7 1 6 7 M V30 8 1 7 8 M V30 9 1 7 9 M V30 10 1 3 10 M V30 END BOND M V30 END CTAB M END +

101008 +

-INDIGO-01092515082D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 13 13 0 0 0 M V30 BEGIN ATOM M V30 1 C -4.8 0.0 0.0 0 M V30 2 C -4.0 1.38564 0.0 0 M V30 3 O -4.8 2.77128 0.0 0 M V30 4 O -2.4 1.38564 0.0 0 M V30 5 C -1.6 0.0 0.0 0 M V30 6 C -2.4 -1.38564 0.0 0 M V30 7 C -1.6 -2.77128 0.0 0 M V30 8 C 0.0 -2.77128 0.0 0 M V30 9 C 0.8 -1.38564 0.0 0 M V30 10 C 0.0 0.0 0.0 0 M V30 11 C 0.799999 1.38564 0.0 0 M V30 12 O 0.0 2.77128 0.0 0 M V30 13 O 2.4 1.38564 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 2 2 3 M V30 3 1 2 4 M V30 4 1 4 5 M V30 5 2 5 6 M V30 6 1 6 7 M V30 7 2 7 8 M V30 8 1 8 9 M V30 9 2 9 10 M V30 10 1 10 5 M V30 11 1 10 11 M V30 12 2 11 12 M V30 13 1 11 13 M V30 END BOND M V30 END CTAB M END +

Property:Molfile

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